Designing an improved transition metal phosphide catalyst for hydrogen evolution using experimental and theoretical trends
Abstract
A volcano relationship exists between hydrogen evolution activities and hydrogen adsorption free energies for transition metal phosphides. We further predict and confirm that Fe 0.5 Co 0.5 P exhibits the highest activity.
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The ΔGH of CoP is closer to thermo-neutral than that of Ni2P by DFT.
“Kibsgaard et al. indicated that the ΔGH of CoP is closer to thermo-neutral than that of Ni2P by DFT,52”
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- Authors
- Kibsgaard, J., Tsai, C., Chan, K., Benck, J. D., Nørskov, J. K., Abild-Pedersen, F., & Jaramillo, T. F.
- Affiliations
- SLAC National Accelerator Laboratory (US)
- Stanford University (US)
- SUNCAT Center for Interface Science and Catalysis
- Corresponding author
- Jaramillo, Thomas F.
- Venue
- Energy & Environmental Science
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2015
- Volume
- 8
- Issue
- 10
- Pages
- 3022-3029
- ISSN
- 1754-5692 (ISSN-L)
- 1754-5706
- OpenAlex
- W1894159837
- Cited by
- 979
- References
- 6
- Citations by year
- 2026: 35 · 2025: 58 · 2024: 62 · 2023: 72 · 2022: 114 · 2021: 112 · 2020: 124 · 2019: 136 · 2018: 120 · 2017: 94 · 2016: 48 · 2015: 3
- FWCI
- 26.15
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- Energy & Environmental Science (publishedVersion)
- Funders
- Basic Energy Sciences (DE-SC0008685)
- Topics
- Physical Sciences › Energy › Renewable Energy, Sustainability and the Environment › Electrocatalysts for Energy Conversion
- Physical Sciences › Materials Science › Materials Chemistry › Hydrogen Storage and Materials
- Physical Sciences › Energy › Renewable Energy, Sustainability and the Environment › CO2 Reduction Techniques and Catalysts
- Keywords
- transition metal phosphides, hydrogen evolution reaction, electrocatalysts, volcano plot, hydrogen adsorption free energy, catalyst design
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